(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine

C13H13ClFNS — CID 102763507

IUPAC(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-7-5-9(15)3-4-10(7)12(16)11-6-8(2)13(14)17-11/h3-6,12H,16H2,1-2H3
InChIKeyCANPCIYAUGFIQG-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.21
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 102763507) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID102763507
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-7-5-9(15)3-4-10(7)12(16)11-6-8(2)13(14)17-11/h3-6,12H,16H2,1-2H3
InChIKeyCANPCIYAUGFIQG-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 102763507) is (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1cc(C)c(Cl)s1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is CANPCIYAUGFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-7-5-9(15)3-4-10(7)12(16)11-6-8(2)13(14)17-11/h3-6,12H,16H2,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 269.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 102763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).